Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK760532
SMILES COc1ccc(c(c1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc2c(c1)OCO2)N)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-27(2)11-19-25(20(31)12-27)24(15-5-7-22-23(9-15)35-14-34-22)17(13-28)26(29)30(19)18-10-16(32-3)6-8-21(18)33-4/h5-10,24H,11-12,14,29H2,1-4H3InChIKey
JXQKOYZBAPUERQ-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(25dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)1(25DIMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)OC)OC)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC27H27N3O5c127(2)111925(20(31)1227)24(15572223(915)35143422)17(1328)26(29)30(19)181016(323)6821(18)334h51024H11121429H214H3
MFCD01821868
ZINC000001064081
ZINC000001064082
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